pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.95	IUPAC digitized pKa	1	0	COc1nc(NC(C)=O)[nH+]c2nccnc12,COc1nc(NC(C)=O)nc2ncc[nH+]c12,COc1nc(NC(C)=O)nc2[nH+]ccnc12,COc1[nH+]c(NC(C)=O)nc2nccnc12	COc1nc(NC(C)=O)nc2nccnc12	mol4703	COc1nc(NC(C)=O)nc2nccnc12